N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide

C15H11N3O4S — CID 5369892

IUPACN-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cccnc2)cc2sc(=O)oc12
InChIInChI=1S/C15H11N3O4S/c1-21-11-5-9(6-12-13(11)22-15(20)23-12)7-17-18-14(19)10-3-2-4-16-8-10/h2-8H,1H3,(H,18,19)/b17-7-
InChIKeyBRVGTYWNIKYOJA-IDUWFGFVSA-N
MW329.34 g/mol
LogP2.02
Rot. Bonds4

About N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide

N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 5369892) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID5369892
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC NameN-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cccnc2)cc2sc(=O)oc12
InChIInChI=1S/C15H11N3O4S/c1-21-11-5-9(6-12-13(11)22-15(20)23-12)7-17-18-14(19)10-3-2-4-16-8-10/h2-8H,1H3,(H,18,19)/b17-7-
InChIKeyBRVGTYWNIKYOJA-IDUWFGFVSA-N
XLogP2.02
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbonate_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780
[2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 6896381
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 689201
[2-methoxy-4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate
CID 3630214
N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 41302124
N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 2451408
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135781803
methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate
CID 2741940

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide (CID 5369892) is N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide is COc1cc(/C=N\NC(=O)c2cccnc2)cc2sc(=O)oc12.
What is the InChIKey of N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is BRVGTYWNIKYOJA-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-21-11-5-9(6-12-13(11)22-15(20)23-12)7-17-18-14(19)10-3-2-4-16-8-10/h2-8H,1H3,(H,18,19)/b17-7-.
What are the key properties of N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide?
N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5369892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).